2,5-dimethyl-N-(6-phenoxy-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide

C19H16N4O2S — CID 71890744

IUPAC2,5-dimethyl-N-(6-phenoxy-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc3ccc(Oc4ccccc4)cc3s2)n(C)n1
InChIInChI=1S/C19H16N4O2S/c1-12-10-16(23(2)22-12)18(24)21-19-20-15-9-8-14(11-17(15)26-19)25-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,20,21,24)
InChIKeyKPHIHMZPNSLUMR-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.38
Rot. Bonds4

About 2,5-dimethyl-N-(6-phenoxy-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide

2,5-dimethyl-N-(6-phenoxy-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide (PubChem CID 71890744) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 2,5-dimethyl-N-(6-phenoxy-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(6-phenoxy-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
PubChem CID71890744
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name2,5-dimethyl-N-(6-phenoxy-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc3ccc(Oc4ccccc4)cc3s2)n(C)n1
InChIInChI=1S/C19H16N4O2S/c1-12-10-16(23(2)22-12)18(24)21-19-20-15-9-8-14(11-17(15)26-19)25-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,20,21,24)
InChIKeyKPHIHMZPNSLUMR-UHFFFAOYSA-N
XLogP4.38
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2,5-dimethylpyrazole-3-carboxamide
CID 16952689
N-(6-phenoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
CID 2090733
4-acetamido-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide
CID 8749066
phenyl N-[6-[(2,5-dimethylpyrazol-3-yl)methoxy]-1,3-benzothiazol-2-yl]carbamate
CID 141233220
3-methyl-4-nitro-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide
CID 7948430
3-cyano-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide
CID 7948379
2-oxo-N-(6-phenoxy-1,3-benzothiazol-2-yl)-1H-quinoline-4-carboxamide
CID 7872514
N-(6-phenoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 7948425
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
CID 1346004
3-(4-methylphenyl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)prop-2-enamide
CID 5134590
3-(dimethylsulfamoyl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide
CID 4800277
N-(6-phenoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 7948419

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(6-phenoxy-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(6-phenoxy-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide (CID 71890744) is 2,5-dimethyl-N-(6-phenoxy-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(6-phenoxy-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(6-phenoxy-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2nc3ccc(Oc4ccccc4)cc3s2)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-(6-phenoxy-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide?
The InChIKey is KPHIHMZPNSLUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-12-10-16(23(2)22-12)18(24)21-19-20-15-9-8-14(11-17(15)26-19)25-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,20,21,24).
What are the key properties of 2,5-dimethyl-N-(6-phenoxy-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide?
2,5-dimethyl-N-(6-phenoxy-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(6-phenoxy-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 71890744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).